SCHEMBL6743190

SCHEMBL6743190

Cc1c(O)ccc(C(=O)O)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.53
G6PD P11413 1/20 0.53
CASP6 P55212 1/20 0.53
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
PTGS2 P35354 2/20 0.48
TNF P01375 1/20 0.48
HSPD1 P10809 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDR P35968 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31494238 0.85 GABRP (0.50) CASP7G6PDCASP6KDM4EALDH1A1
SCHEMBL2921220 0.85 GABRP (0.50) CASP7G6PDCASP6KDM4EALDH1A1
SCHEMBL1954506 0.83 MAPT (0.43) CASP7G6PDCASP6KDM4EALDH1A1
SCHEMBL2880282 0.83 CASP7 (0.53) CASP7G6PDCASP6KDM4EALDH1A1
SCHEMBL2926609 0.81 KDM4E (0.48) CASP7G6PDCASP6KDM4EALDH1A1
Ethane SCHEMBL28152304 0.81 CASP7 (0.61) CASP7G6PDCASP6KDM4EALDH1A1
SCHEMBL1149742 0.81 KDM4E (0.48) CASP7G6PDCASP6KDM4EALDH1A1
SCHEMBL30443442 0.80 SELL (0.54) CASP7KDM4EALDH1A1CYP3A4MAPT
SCHEMBL317575 0.80 SELL (0.54) CASP7KDM4EALDH1A1CYP3A4MAPT
SCHEMBL10800974 0.79 KDM4E (0.47) CASP7G6PDCASP6KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072165-A1 Method for producing dna encoding polypeptides that are composed of several section, and for producing polypeptides by expressing the dna thus obtained ACTINODRUG PHARMACEUTICALS GMBH (DE) 2004-04-15 US disclosed
US-4089078-A Arylazopyrazolone dyes for polyester AMERICAN COLOR & CHEMICAL CORPORATION (US) 1978-05-16 US disclosed